(2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine

C9H17F2N — CID 178101614

IUPAC(2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine
SMILESCC[C@]1(C)C[C@H](C(F)F)CN1C
InChIInChI=1S/C9H17F2N/c1-4-9(2)5-7(8(10)11)6-12(9)3/h7-8H,4-6H2,1-3H3/t7-,9+/m0/s1
InChIKeyHEIMSMDLYMMWBF-IONNQARKSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds2

About (2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine

(2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine (PubChem CID 178101614) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is (2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine
PubChem CID178101614
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name(2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine
SMILESCC[C@]1(C)C[C@H](C(F)F)CN1C
InChIInChI=1S/C9H17F2N/c1-4-9(2)5-7(8(10)11)6-12(9)3/h7-8H,4-6H2,1-3H3/t7-,9+/m0/s1
InChIKeyHEIMSMDLYMMWBF-IONNQARKSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine?
The IUPAC name of (2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine (CID 178101614) is (2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine.
What is the SMILES notation for (2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine?
The canonical SMILES for (2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine is CC[C@]1(C)C[C@H](C(F)F)CN1C.
What is the InChIKey of (2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine?
The InChIKey is HEIMSMDLYMMWBF-IONNQARKSA-N. The full InChI is InChI=1S/C9H17F2N/c1-4-9(2)5-7(8(10)11)6-12(9)3/h7-8H,4-6H2,1-3H3/t7-,9+/m0/s1.
What are the key properties of (2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine?
(2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine is sourced from PubChem (CID 178101614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).